#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i6g s ASP 2 N 0.00 4.40 0.00 -5.58 1.01 -1.26 0.95 116.67 116.20 1i6g s ASP 2 Ca 0.00 -0.11 -0.01 0.00 0.71 0.00 0.00 52.55 53.15 1i6g s ASP 2 Cb 0.00 -1.03 0.00 0.00 1.01 0.00 0.00 42.92 42.90 1i6g s ASP 2 CO 0.00 0.34 0.02 0.61 0.21 0.00 0.00 175.17 176.36 1i6g n GLY 3 N 2.15 0.70 3.28 0.21 0.00 -0.97 -4.98 105.19 105.59 1i6g n GLY 3 Ca -0.17 -0.85 -0.34 0.00 0.00 0.00 0.00 46.02 44.67 1i6g n GLY 3 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1i6g s TYR 4 N -3.39 2.83 0.26 1.61 2.02 -1.26 -1.92 117.35 117.50 1i6g s TYR 4 Ca 0.01 -1.00 -0.30 0.00 -0.37 0.00 0.00 57.07 55.41 1i6g s TYR 4 Cb -0.00 -1.94 -0.09 0.00 -0.40 0.00 0.00 41.96 39.53 1i6g s TYR 4 CO 0.00 -0.47 1.23 -1.25 -1.57 0.00 0.00 175.55 173.48 1i6g s PRO 5 N 0.94 4.47 0.39 -1.71 0.04 -1.25 -1.68 135.00 136.20 1i6g s PRO 5 Ca -0.02 1.99 0.08 0.00 0.04 0.00 0.00 61.00 63.08 1i6g s PRO 5 Cb -0.15 -3.17 -0.00 0.00 0.04 0.00 0.00 34.50 31.22 1i6g s PRO 5 CO -0.01 -0.07 0.48 0.14 0.04 0.00 0.00 177.00 177.58 1i6g s VAL 6 N -0.63 3.26 0.85 -0.36 -7.23 -0.94 -2.33 120.40 113.00 1i6g s VAL 6 Ca 0.50 -1.10 -0.07 0.00 -1.81 0.00 0.00 61.98 59.50 1i6g s VAL 6 Cb -0.35 -3.12 0.18 0.00 0.56 0.00 0.00 36.38 33.64 1i6g s VAL 6 CO 0.43 -0.06 1.16 1.51 -0.31 0.00 0.00 175.10 177.83 1i6g s ASP 7 N -4.23 3.64 0.41 4.85 -4.77 0.34 -4.82 116.67 112.09 1i6g s ASP 7 Ca 0.50 -0.22 0.23 0.00 -3.30 0.00 0.00 52.55 49.76 1i6g s ASP 7 Cb -0.08 0.07 1.25 0.00 -1.09 0.00 0.00 42.92 43.07 1i6g s ASP 7 CO 0.31 -2.36 1.67 0.77 0.70 0.00 0.00 175.17 176.26 1i6g h SER 8 N -1.07 0.00 0.22 2.11 4.64 -2.00 -0.92 113.55 116.53 1i6g h SER 8 Ca -0.38 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.59 1i6g h SER 8 Cb 1.24 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.36 1i6g h SER 8 CO 0.35 0.00 -1.63 0.50 -0.87 0.00 0.00 176.83 175.19 1i6g h LYS 9 N 0.00 0.46 0.00 4.77 3.11 -2.03 -3.48 116.57 119.41 1i6g h LYS 9 Ca 0.00 -0.79 0.00 0.00 -2.81 0.00 0.00 60.65 57.05 1i6g h LYS 9 Cb 0.27 0.30 0.00 0.00 -1.00 0.00 0.00 32.23 31.79 1i6g h LYS 9 CO 0.00 1.38 0.00 0.41 -2.81 0.00 0.00 179.45 178.43 1i6g n GLY 10 N 1.80 1.17 3.92 5.01 0.00 -0.35 -5.07 105.19 111.67 1i6g n GLY 10 Ca -0.21 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.54 1i6g n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i6g s LYS 12 N -5.27 4.08 -0.51 0.00 1.02 -1.26 -0.51 119.74 117.30 1i6g s LYS 12 Ca 0.60 1.28 -0.25 0.00 0.02 0.00 0.00 55.97 57.62 1i6g s LYS 12 Cb -0.11 -2.24 0.03 0.00 -0.52 0.00 0.00 37.83 34.99 1i6g s LYS 12 CO 0.46 -0.17 0.95 -1.17 -0.92 0.00 0.00 175.35 174.49 1i6g s LEU 13 N -3.14 4.00 0.59 3.17 2.96 -0.99 -4.73 118.68 120.56 1i6g s LEU 13 Ca 0.63 -0.09 -0.19 0.00 -0.22 0.00 0.00 54.13 54.26 1i6g s LEU 13 Cb -0.14 -3.04 -0.05 0.00 0.50 0.00 0.00 46.19 43.47 1i6g s LEU 13 CO 0.18 -1.16 1.05 -1.20 -1.32 0.00 0.00 176.35 173.90 1i6g n SER 14 N 7.39 1.14 -4.03 3.68 7.64 -1.26 -1.47 113.62 126.72 1i6g n SER 14 Ca 0.04 0.84 -0.11 0.00 1.01 0.00 0.00 58.87 60.65 1i6g n SER 14 Cb 0.48 -1.43 -0.11 0.00 -1.01 0.00 0.00 64.21 62.14 1i6g n SER 14 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1i6g n VAL 16 N 1.50 0.00 -4.90 0.00 3.14 -1.26 -4.44 118.33 112.37 1i6g n VAL 16 Ca -0.23 0.00 -0.33 0.00 -2.96 0.00 0.00 64.34 60.82 1i6g n VAL 16 Cb 0.55 -0.56 -0.14 0.00 -1.06 0.00 0.00 33.84 32.63 1i6g n VAL 16 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1i6g s ALA 17 N -1.81 2.55 0.19 1.55 0.00 -1.26 -5.02 121.76 117.96 1i6g s ALA 17 Ca 0.00 -0.94 -0.13 0.00 0.00 0.00 0.00 51.96 50.89 1i6g s ALA 17 Cb 0.00 -1.04 0.10 0.00 0.00 0.00 0.00 23.12 22.18 1i6g s ALA 17 CO 0.00 0.37 1.85 -0.91 0.00 0.00 0.00 175.76 177.07 1i6g h ASN 18 N 6.17 0.67 -0.89 0.00 2.35 -1.94 -2.34 115.58 119.60 1i6g h ASN 18 Ca -0.33 -0.01 0.24 0.00 -0.55 0.00 0.00 56.30 55.64 1i6g h ASN 18 Cb 1.19 -0.16 -0.14 0.00 0.05 0.00 0.00 38.32 39.26 1i6g h ASN 18 CO 0.52 0.48 0.32 -0.55 -1.65 0.00 0.00 177.43 176.56 1i6g h ASN 19 N 0.80 0.17 -0.52 5.81 -1.07 -1.95 0.58 115.58 119.39 1i6g h ASN 19 Ca 0.22 0.18 0.08 0.00 0.07 0.00 0.00 56.30 56.86 1i6g h ASN 19 Cb -0.08 0.20 -0.07 0.00 -2.07 0.00 0.00 38.32 36.31 1i6g h ASN 19 CO -0.05 -0.10 0.15 0.22 0.07 0.00 0.00 177.43 177.71 1i6g h TYR 20 N 0.29 0.25 0.04 4.14 3.20 -1.84 -1.90 116.97 121.14 1i6g h TYR 20 Ca 0.57 0.03 -0.23 0.00 3.14 0.00 0.00 58.73 62.24 1i6g h TYR 20 Cb 1.14 -0.03 -0.00 0.00 1.54 0.00 0.00 36.73 39.38 1i6g h TYR 20 CO -0.19 0.04 -1.01 0.00 -1.64 0.00 0.00 178.16 175.36 1i6g h ASP 22 N 0.15 -0.83 -0.03 0.00 3.58 0.76 0.11 116.42 120.16 1i6g h ASP 22 Ca -0.08 0.20 -0.05 0.00 0.42 0.00 0.00 57.03 57.52 1i6g h ASP 22 Cb 1.67 0.47 0.00 0.00 1.72 0.00 0.00 39.33 43.19 1i6g h ASP 22 CO 0.16 -0.26 -0.17 -1.13 -2.88 0.00 0.00 179.24 174.97 1i6g h ASN 23 N -0.08 0.21 -0.51 2.28 -0.73 -1.55 -2.62 115.58 112.58 1i6g h ASN 23 Ca 0.27 -0.67 0.05 0.00 1.87 0.00 0.00 56.30 57.82 1i6g h ASN 23 Cb 0.51 -0.06 -0.07 0.00 0.27 0.00 0.00 38.32 38.97 1i6g h ASN 23 CO -0.65 0.84 -0.39 -0.61 -0.37 0.00 0.00 177.43 176.24 1i6g h GLN 24 N -0.42 -0.12 0.18 6.67 5.75 -0.98 0.27 115.11 126.47 1i6g h GLN 24 Ca -0.01 0.01 0.01 0.00 -0.15 0.00 0.00 58.65 58.51 1i6g h GLN 24 Cb 0.84 0.03 -0.04 0.00 1.07 0.00 0.00 27.48 29.38 1i6g h GLN 24 CO 0.04 -0.08 -0.34 0.00 -2.65 0.00 0.00 178.83 175.80 1i6g h LYS 26 N -0.60 -0.02 -0.77 0.00 3.64 -0.78 2.00 116.57 120.03 1i6g h LYS 26 Ca 0.02 0.00 0.14 0.00 -1.27 0.00 0.00 60.65 59.53 1i6g h LYS 26 Cb 0.61 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.38 1i6g h LYS 26 CO -0.16 -0.01 0.51 0.52 -2.27 0.00 0.00 179.45 178.04 1i6g h MET 27 N -0.02 0.50 -1.23 1.90 2.86 0.17 0.18 114.93 119.29 1i6g h MET 27 Ca 0.39 -0.03 -0.22 0.00 -2.06 0.00 0.00 59.70 57.78 1i6g h MET 27 Cb 0.64 -0.11 -0.12 0.00 0.06 0.00 0.00 31.60 32.07 1i6g h MET 27 CO -0.94 0.33 0.29 1.63 1.06 0.00 0.00 176.91 179.27 1i6g n LYS 28 N -4.50 1.54 -4.31 1.72 4.76 0.67 -4.83 118.16 113.22 1i6g n LYS 28 Ca 0.14 -1.20 -0.36 0.00 -2.87 0.00 0.00 58.31 54.03 1i6g n LYS 28 Cb 0.48 -1.47 -0.06 0.00 -1.84 0.00 0.00 35.03 32.14 1i6g n LYS 28 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1i6g n LYS 29 N 0.13 -1.89 -2.84 1.97 0.00 0.63 -4.48 118.16 111.68 1i6g n LYS 29 Ca 0.24 0.24 -0.22 0.00 0.00 0.00 0.00 58.31 58.57 1i6g n LYS 29 Cb 0.81 -4.54 0.09 0.00 0.00 0.00 0.00 35.03 31.39 1i6g n LYS 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1i6g s ALA 30 N -3.63 4.27 -0.00 3.14 0.00 -0.90 -4.49 121.76 120.14 1i6g s ALA 30 Ca 0.49 -2.02 -0.00 0.00 0.00 0.00 0.00 51.96 50.42 1i6g s ALA 30 Cb -0.28 -1.68 -0.00 0.00 0.00 0.00 0.00 23.12 21.16 1i6g s ALA 30 CO 0.97 -1.21 -0.01 -1.13 0.00 0.00 0.00 175.76 174.39 1i6g n SER 31 N -2.56 1.89 -4.11 0.00 3.41 -0.53 -4.59 113.62 107.13 1i6g n SER 31 Ca 0.16 0.00 -0.37 0.00 -0.26 0.00 0.00 58.87 58.41 1i6g n SER 31 Cb 0.61 -0.01 -0.08 0.00 -0.26 0.00 0.00 64.21 64.47 1i6g n SER 31 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1i6g s GLY 32 N -4.55 2.70 -0.24 5.00 0.00 -0.58 -4.83 107.32 104.82 1i6g s GLY 32 Ca -0.01 -3.46 -0.08 0.00 0.00 0.00 0.00 44.72 41.18 1i6g s GLY 32 CO 0.01 1.14 0.08 -0.32 0.00 0.00 0.00 173.10 174.01 1i6g s GLY 33 N 0.48 1.80 0.28 0.20 0.00 -1.26 0.34 107.32 109.16 1i6g s GLY 33 Ca 0.20 -1.05 -0.21 0.00 0.00 0.00 0.00 44.72 43.67 1i6g s GLY 33 CO -0.06 0.44 0.73 -2.38 0.00 0.00 0.00 173.10 171.83 1i6g s HIS 34 N 1.36 -0.17 -0.34 1.90 -3.43 -1.03 -3.17 115.29 110.42 1i6g s HIS 34 Ca 0.05 -0.30 -0.16 0.00 -0.80 0.00 0.00 55.06 53.85 1i6g s HIS 34 Cb -0.15 0.72 -0.01 0.00 -1.43 0.00 0.00 32.58 31.71 1i6g s HIS 34 CO 0.04 -1.25 0.42 0.00 -2.00 0.00 0.00 174.74 171.95 1i6g s TYR 36 N 2.16 0.63 -1.44 0.00 5.04 -0.53 -4.77 117.35 118.44 1i6g s TYR 36 Ca 0.15 -1.02 -0.13 0.00 -2.44 0.00 0.00 57.07 53.62 1i6g s TYR 36 Cb -0.16 -0.43 0.11 0.00 0.35 0.00 0.00 41.96 41.83 1i6g s TYR 36 CO 0.12 -0.31 0.63 0.00 -1.34 0.00 0.00 175.55 174.65 1i6g n ALA 37 N 0.06 -1.15 -1.38 3.97 0.00 -1.26 0.92 120.51 121.67 1i6g n ALA 37 Ca -0.13 0.05 -0.14 0.00 0.00 0.00 0.00 53.44 53.21 1i6g n ALA 37 Cb 0.61 -3.11 -0.06 0.00 0.00 0.00 0.00 19.45 16.89 1i6g n ALA 37 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1i6g n MET 38 N -4.01 -1.53 -3.94 0.00 2.81 -1.26 -4.91 117.12 104.28 1i6g n MET 38 Ca 0.03 0.93 -0.09 0.00 -1.81 0.00 0.00 57.70 56.76 1i6g n MET 38 Cb 0.51 -5.24 -0.09 0.00 -0.71 0.00 0.00 33.22 27.69 1i6g n MET 38 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 1i6g s SER 39 N -2.36 0.21 0.25 7.83 0.01 0.26 -1.95 113.70 117.96 1i6g s SER 39 Ca 0.00 -0.60 -0.30 0.00 1.31 0.00 0.00 55.95 56.37 1i6g s SER 39 Cb 0.00 0.24 -0.09 0.00 0.21 0.00 0.00 66.02 66.37 1i6g s SER 39 CO 0.00 -0.54 1.05 0.00 0.41 0.00 0.00 173.24 174.16 1i6g s TYR 41 N -1.02 -0.17 0.09 0.00 5.04 -1.02 -3.84 117.35 116.43 1i6g s TYR 41 Ca 0.44 0.54 0.07 0.00 -2.44 0.00 0.00 57.07 55.68 1i6g s TYR 41 Cb -0.30 -0.16 -0.04 0.00 0.35 0.00 0.00 41.96 41.81 1i6g s TYR 41 CO 0.38 -0.21 -0.12 0.00 -1.34 0.00 0.00 175.55 174.25 1i6g s GLU 43 N -2.02 2.33 0.00 0.00 2.56 0.15 -2.29 118.70 119.44 1i6g s GLU 43 Ca 0.19 -2.23 0.00 0.00 0.00 0.00 0.00 54.97 52.94 1i6g s GLU 43 Cb -0.11 -3.68 0.00 0.00 2.00 0.00 0.00 34.13 32.34 1i6g s GLU 43 CO 0.11 -1.13 0.00 0.41 -0.56 0.00 0.00 175.26 174.09 1i6g n GLY 44 N 3.97 -0.18 3.05 -1.50 0.00 -0.19 -1.46 105.19 108.88 1i6g n GLY 44 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 1i6g n GLY 44 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1i6g n LEU 45 N 0.00 -5.30 -4.82 0.99 4.77 0.27 -3.33 117.00 109.59 1i6g n LEU 45 Ca 0.00 0.19 -0.31 0.00 -0.03 0.00 0.00 56.01 55.86 1i6g n LEU 45 Cb 0.00 -0.81 0.05 0.00 -2.33 0.00 0.00 43.42 40.34 1i6g n LEU 45 CO 0.00 -5.69 0.71 -2.16 -1.33 0.00 0.00 177.39 168.92 1i6g s PRO 46 N -2.20 2.85 0.53 3.23 0.04 -1.26 0.23 135.00 138.43 1i6g s PRO 46 Ca 0.42 0.92 0.23 0.00 0.04 0.00 0.00 61.00 62.61 1i6g s PRO 46 Cb -0.18 -1.98 1.46 0.00 0.04 0.00 0.00 34.50 33.84 1i6g s PRO 46 CO 0.81 -1.15 2.15 1.49 0.04 0.00 0.00 177.00 180.33 1i6g h GLU 47 N -0.75 0.00 -0.65 4.56 4.22 -1.95 -1.04 114.58 118.97 1i6g h GLU 47 Ca -0.44 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.00 1i6g h GLU 47 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1i6g h GLU 47 CO 0.57 0.06 0.00 0.27 -2.18 0.00 0.00 179.01 177.73 1i6g n ASN 48 N -4.07 4.22 -4.73 1.04 0.23 -1.26 -4.96 115.26 105.73 1i6g n ASN 48 Ca -0.03 -2.52 -0.34 0.00 -0.53 0.00 0.00 54.58 51.17 1i6g n ASN 48 Cb 0.14 -0.57 0.09 0.00 -2.08 0.00 0.00 39.78 37.36 1i6g n ASN 48 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1i6g s ALA 49 N -2.05 2.13 -1.06 -2.53 0.00 -0.39 -4.93 121.76 112.93 1i6g s ALA 49 Ca 0.41 0.78 -0.11 0.00 0.00 0.00 0.00 51.96 53.04 1i6g s ALA 49 Cb 0.29 -3.44 0.25 0.00 0.00 0.00 0.00 23.12 20.22 1i6g s ALA 49 CO 0.16 -1.84 1.08 0.21 0.00 0.00 0.00 175.76 175.38 1i6g s LYS 50 N -4.03 4.04 0.28 0.00 2.20 -1.26 -5.00 119.74 115.97 1i6g s LYS 50 Ca 0.72 -2.92 0.02 0.00 -0.36 0.00 0.00 55.97 53.43 1i6g s LYS 50 Cb -0.27 -4.61 -0.05 0.00 -1.51 0.00 0.00 37.83 31.38 1i6g s LYS 50 CO 0.46 -1.34 0.09 0.14 -0.36 0.00 0.00 175.35 174.33 1i6g s VAL 51 N -0.43 0.72 0.39 4.02 -7.23 -1.26 -2.21 120.40 114.40 1i6g s VAL 51 Ca 0.30 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 58.39 1i6g s VAL 51 Cb -0.09 -2.68 -0.05 0.00 0.56 0.00 0.00 36.38 34.12 1i6g s VAL 51 CO -0.07 0.00 0.71 -0.55 -0.31 0.00 0.00 175.10 174.87 1i6g s SER 52 N -3.36 6.44 -0.39 4.85 0.15 -0.67 -4.91 113.70 115.81 1i6g s SER 52 Ca 0.37 0.95 0.06 0.00 0.70 0.00 0.00 55.95 58.03 1i6g s SER 52 Cb 0.08 -2.25 0.44 0.00 -1.71 0.00 0.00 66.02 62.58 1i6g s SER 52 CO 0.14 -0.37 1.17 -0.90 1.20 0.00 0.00 173.24 174.48 1i6g n ASP 53 N -1.41 4.89 -3.66 5.45 5.75 -1.26 -4.29 116.55 122.03 1i6g n ASP 53 Ca 0.01 -3.74 -0.06 0.00 -0.01 0.00 0.00 54.79 50.99 1i6g n ASP 53 Cb 0.54 -0.43 -0.08 0.00 -1.03 0.00 0.00 41.12 40.13 1i6g n ASP 53 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1i6g s SER 54 N -3.50 -0.75 0.00 -1.12 1.04 -1.26 -5.01 113.70 103.09 1i6g s SER 54 Ca 0.49 1.28 0.12 0.00 0.48 0.00 0.00 55.95 58.32 1i6g s SER 54 Cb 0.41 1.49 0.34 0.00 0.10 0.00 0.00 66.02 68.35 1i6g s SER 54 CO -0.10 -0.22 1.28 0.00 0.98 0.00 0.00 173.24 175.17 1i6g n ALA 55 N 4.84 2.45 -3.21 5.32 0.00 -1.26 -4.39 120.51 124.26 1i6g n ALA 55 Ca -0.16 -0.63 -0.24 0.00 0.00 0.00 0.00 53.44 52.41 1i6g n ALA 55 Cb 0.53 -0.98 -0.07 0.00 0.00 0.00 0.00 19.45 18.94 1i6g n ALA 55 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1i6g n THR 56 N 0.54 -0.44 -3.48 0.00 -2.24 -1.26 -5.10 114.28 102.31 1i6g n THR 56 Ca 0.12 -4.12 -0.14 0.00 -2.27 0.00 0.00 64.05 57.65 1i6g n THR 56 Cb 0.30 -1.96 -0.04 0.00 -2.10 0.00 0.00 70.33 66.54 1i6g n THR 56 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1i6g s ASN 57 N -1.30 -0.56 0.12 3.42 4.22 -1.26 -5.17 114.94 114.40 1i6g s ASN 57 Ca 0.35 0.22 0.10 0.00 -2.14 0.00 0.00 52.86 51.40 1i6g s ASN 57 Cb 0.17 0.56 -0.04 0.00 1.28 0.00 0.00 41.25 43.22 1i6g s ASN 57 CO -0.10 -0.83 -0.26 -0.51 -2.04 0.00 0.00 177.10 173.37 1i6g s ILE 58 N -2.82 2.14 0.28 0.54 1.10 -1.26 -5.09 121.20 116.09 1i6g s ILE 58 Ca -0.03 -1.68 0.09 0.00 -0.51 0.00 0.00 60.65 58.52 1i6g s ILE 58 Cb -0.01 -1.90 -0.06 0.00 0.15 0.00 0.00 42.46 40.65 1i6g s ILE 58 CO -0.05 0.09 -0.11 0.00 -2.11 0.00 0.00 174.94 172.76